4358-6009 Screening compound: benzyl 7-(3-hydroxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

4358-6009 Screening compound: benzyl 7-(3-hydroxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
4358-6009 Screening compound: benzyl 7-(3-hydroxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-6009
benzyl 7-(3-hydroxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4358-6009

Molecular Formula

C20H18N4O3 (C20 H18 N4 O3)

Compound Name

benzyl 7-(3-hydroxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

benzyl 7-(3-hydroxyphenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CC(Nc1ncnn1C1c2cc(O)ccc2)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C20H18N4O3/c1-13-17(19(26)27-11-14-6-3-2-4-7-14)18(15-8-5-9-16(25)10-15)24-20(23-13)21-12-22-24/h2-10,12,18,25H,11H2,1H3,(H,21,22,23)/t18-/m0/s1

InChI Key

ZOPVJHNQILDHGL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02370434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

2.884

Water Solubility, LogSw

-3.09

Polar Surface Area

76.465

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

4358-6009 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4358-6009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-6009?
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What is the minimum amount of 4358-6009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-6009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-6009
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4358-6009 available by request